Another note on new residue types:
Version 5 of modeller, to be released by the end of August, is compatible with the QUANTA RTF editor. So the easiest way to generate a new RTF entry would be to use QUANTA's RTF editor, write it out, and include it in the MODELLER lib file. Also, we will have many more molecules/residues in the standard MODELLER RTF library to begin with.
I know, not everybody has access to QUANTA ...
Best, Andrej
-- Andrej Sali, Assistant Professor The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399 tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540 e-mail sali@rockvax.rockefeller.edu; http://salilab.org
Also the InsightII 98.0 version of InsightII will have an RTF writer that will enable the user to write out the RTF for MODELER and automatically write the .top file which includes this in the calculation......
David
At 10:29 AM 7/9/98 -0400, Andrej Sali wrote: >Another note on new residue types: > >Version 5 of modeller, to be released by the end of August, is >compatible with the QUANTA RTF editor. So the easiest way to generate a >new RTF entry would be to use QUANTA's RTF editor, write it out, and >include it in the MODELLER lib file. Also, we will have many more >molecules/residues in the standard MODELLER RTF library to begin with. > >I know, not everybody has access to QUANTA ... > >Best, Andrej > >-- >Andrej Sali, Assistant Professor >The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399 >tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540 >e-mail sali@rockvax.rockefeller.edu; http://salilab.org > > > ----------------------------------------------------------------- Dr David J. Edwards dje@msi.com Product Manager, Proteins Tel: (619) 799 5374 Molecular Simulations Inc. Fax: (619) 458 0136 9685 Scranton Road http://www.msi.com San Diego, CA 92121-3752. -----------------------------------------------------------------
participants (2)
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Andrej Sali -
David Edwards